CID 499922

N-tert-butyl-1-[3-[2-(tert-butylcarbamoyl)anilino]-2-hydroxy-propyl]indole-2-carboxamide

Structural Information

Molecular Formula
C27H36N4O3
SMILES
CC(C)(C)NC(=O)C1=CC=CC=C1NCC(CN2C3=CC=CC=C3C=C2C(=O)NC(C)(C)C)O
InChI
InChI=1S/C27H36N4O3/c1-26(2,3)29-24(33)20-12-8-9-13-21(20)28-16-19(32)17-31-22-14-10-7-11-18(22)15-23(31)25(34)30-27(4,5)6/h7-15,19,28,32H,16-17H2,1-6H3,(H,29,33)(H,30,34)
InChIKey
JJIDPEGKLDCCEB-UHFFFAOYSA-N
Compound name
N-tert-butyl-1-[3-[2-(tert-butylcarbamoyl)anilino]-2-hydroxypropyl]indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.27875 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.28603 216.6
[M+Na]+ 487.26797 219.0
[M-H]- 463.27147 221.5
[M+NH4]+ 482.31257 224.8
[M+K]+ 503.24191 215.4
[M+H-H2O]+ 447.27601 208.1
[M+HCOO]- 509.27695 233.3
[M+CH3COO]- 523.29260 242.5
[M+Na-2H]- 485.25342 218.0
[M]+ 464.27820 218.5
[M]- 464.27930 218.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.